AC1Q4QOQ
4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile
Also Known As: 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile
CAS: 1008-72-6
| Molecular Formula | C18H21N11 |
|---|---|
| Molecular Weight | 391.19815 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.19815 |
| Monoisotopic Mass | 391.19815 |
| Heavy Atoms | 29 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 1008-72-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCC2=NC(=NC(=N2)N)N)(CCC3=NC(=NC(=N3)N)N)C#N |
| InChIKey | GKZLDEWOBUROEP-UHFFFAOYSA-N |
Product Overview
AC1Q4QOQ (CAS 1008-72-6), with molecular formula C18H21N11 and molecular weight 391.19815 g/mol. IUPAC: 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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